3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one

C11H14O2 — CID 53345950

IUPAC3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one
SMILESCC/C=C(\C)c1ccc(C)c(=O)o1
InChIInChI=1S/C11H14O2/c1-4-5-8(2)10-7-6-9(3)11(12)13-10/h5-7H,4H2,1-3H3/b8-5+
InChIKeyPBQULXLDQBOQEV-VMPITWQZSA-N
MW178.23 g/mol
LogP2.76
Rot. Bonds2

About 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one

3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one (PubChem CID 53345950) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one.

Molecular Properties

Compound Name3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one
PubChem CID53345950
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one
SMILESCC/C=C(\C)c1ccc(C)c(=O)o1
InChIInChI=1S/C11H14O2/c1-4-5-8(2)10-7-6-9(3)11(12)13-10/h5-7H,4H2,1-3H3/b8-5+
InChIKeyPBQULXLDQBOQEV-VMPITWQZSA-N
XLogP2.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one?
The IUPAC name of 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one (CID 53345950) is 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one.
What is the SMILES notation for 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one?
The canonical SMILES for 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one is CC/C=C(\C)c1ccc(C)c(=O)o1.
What is the InChIKey of 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one?
The InChIKey is PBQULXLDQBOQEV-VMPITWQZSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-5-8(2)10-7-6-9(3)11(12)13-10/h5-7H,4H2,1-3H3/b8-5+.
What are the key properties of 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one?
3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(E)-pent-2-en-2-yl]pyran-2-one is sourced from PubChem (CID 53345950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).